FMODB ID: 5225Z
Calculation Name: 4QK0-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4QK0
Chain ID: D
UniProt ID: B3EYN9
Base Structure: X-ray
Registration Date: 2023-06-21
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 635 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -15756111.735209 |
---|---|
FMO2-HF: Nuclear repulsion | 15499521.996356 |
FMO2-HF: Total energy | -256589.738853 |
FMO2-MP2: Total energy | -257336.793227 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(D:8:THR)
Summations of interaction energy for
fragment #1(D:8:THR)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-4.388 | 2.618 | 3.123 | -3.845 | -6.283 | -0.009 |
Interaction energy analysis for fragmet #1(D:8:THR)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | D | 10 | VAL | 0 | -0.001 | -0.009 | 2.543 | -0.372 | 1.454 | 0.483 | -0.753 | -1.556 | 0.001 |
4 | D | 11 | ASN | 0 | -0.055 | -0.014 | 4.863 | 0.112 | 0.129 | -0.001 | -0.005 | -0.011 | 0.000 |
5 | D | 12 | LEU | 0 | 0.021 | 0.004 | 8.677 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | D | 13 | LYS | 1 | 0.812 | 0.899 | 11.176 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 14 | ASP | -1 | -0.750 | -0.873 | 14.082 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 15 | GLN | 0 | -0.034 | -0.017 | 16.361 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 16 | PHE | 0 | 0.012 | 0.004 | 18.434 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 17 | TRP | 0 | 0.028 | -0.005 | 14.948 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 18 | LYS | 1 | 0.889 | 0.954 | 16.428 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 19 | ARG | 1 | 0.912 | 0.967 | 17.219 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 20 | TYR | 0 | 0.030 | 0.008 | 18.707 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 21 | ILE | 0 | -0.017 | -0.009 | 13.384 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 22 | ASP | -1 | -0.913 | -0.956 | 17.699 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 23 | VAL | 0 | -0.012 | 0.001 | 20.528 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 24 | VAL | 0 | -0.001 | -0.002 | 18.588 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 25 | ARG | 1 | 0.854 | 0.920 | 15.051 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 26 | HIS | 0 | -0.065 | -0.049 | 20.826 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 27 | GLU | -1 | -0.897 | -0.933 | 24.426 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 28 | VAL | 0 | -0.043 | -0.023 | 22.963 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 29 | ILE | 0 | -0.005 | -0.007 | 20.203 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 30 | PRO | 0 | 0.025 | 0.009 | 23.640 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 31 | TYR | 0 | 0.066 | 0.045 | 26.568 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 32 | GLN | 0 | 0.007 | -0.025 | 25.752 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 33 | TRP | 0 | 0.028 | 0.034 | 26.443 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 34 | GLU | -1 | -0.795 | -0.873 | 28.119 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 35 | ALA | 0 | 0.017 | 0.009 | 30.825 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 36 | LEU | 0 | -0.046 | -0.027 | 26.507 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 37 | ASN | 0 | -0.111 | -0.074 | 30.182 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 38 | ASP | -1 | -0.811 | -0.881 | 33.534 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 39 | ARG | 1 | 0.785 | 0.867 | 31.633 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 40 | ILE | 0 | -0.016 | -0.003 | 32.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 41 | PRO | 0 | -0.061 | -0.037 | 37.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 42 | ASP | -1 | -0.927 | -0.964 | 39.091 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 43 | ALA | 0 | -0.049 | -0.006 | 36.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 44 | GLU | -1 | -0.939 | -0.979 | 38.161 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 45 | PRO | 0 | -0.035 | -0.006 | 37.006 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 46 | SER | 0 | -0.038 | -0.026 | 33.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 47 | HIS | 0 | 0.072 | 0.011 | 35.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 48 | ALA | 0 | -0.046 | -0.007 | 30.603 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 49 | ILE | 0 | -0.009 | -0.011 | 28.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 50 | GLU | -1 | -0.764 | -0.835 | 32.287 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 51 | ASN | 0 | 0.034 | 0.007 | 34.366 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 52 | PHE | 0 | 0.003 | -0.024 | 29.191 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 53 | ARG | 1 | 0.902 | 0.947 | 33.928 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 54 | ILE | 0 | -0.004 | 0.017 | 36.356 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 55 | ALA | 0 | -0.037 | -0.017 | 35.565 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 56 | ALA | 0 | -0.042 | -0.018 | 35.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 57 | GLY | 0 | -0.056 | -0.017 | 37.061 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 58 | GLU | -1 | -0.869 | -0.904 | 36.363 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 59 | SER | 0 | -0.097 | -0.099 | 39.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 60 | ASP | -1 | -0.912 | -0.938 | 41.653 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 61 | GLY | 0 | -0.008 | -0.017 | 43.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 62 | GLU | -1 | -0.998 | -0.994 | 43.565 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 63 | PHE | 0 | -0.027 | -0.014 | 35.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 64 | TYR | 0 | -0.003 | 0.000 | 38.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 65 | GLY | 0 | 0.037 | 0.027 | 36.527 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 66 | MET | 0 | -0.065 | -0.030 | 34.022 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 67 | VAL | 0 | 0.023 | 0.007 | 34.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 68 | PHE | 0 | 0.004 | -0.013 | 30.077 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 69 | GLN | 0 | 0.045 | 0.035 | 29.973 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 70 | ASP | -1 | -0.736 | -0.832 | 29.029 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 71 | SER | 0 | -0.110 | -0.087 | 25.623 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 72 | ASP | -1 | -0.918 | -0.958 | 24.852 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 73 | VAL | 0 | 0.028 | 0.014 | 25.182 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 74 | ALA | 0 | -0.032 | -0.009 | 22.322 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 75 | LYS | 1 | 0.911 | 0.953 | 20.614 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 76 | TRP | 0 | -0.014 | 0.005 | 20.194 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 77 | LEU | 0 | 0.011 | -0.004 | 20.292 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 78 | GLU | -1 | -0.799 | -0.857 | 15.258 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 79 | ALA | 0 | -0.024 | -0.015 | 15.550 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 80 | VAL | 0 | 0.002 | 0.008 | 16.178 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 81 | ALA | 0 | -0.008 | 0.001 | 14.111 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 82 | TYR | 0 | -0.055 | -0.064 | 10.747 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 83 | LEU | 0 | -0.022 | -0.015 | 12.270 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 84 | LEU | 0 | -0.040 | -0.019 | 14.593 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 85 | GLU | -1 | -0.884 | -0.923 | 8.178 | -0.795 | -0.795 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 86 | THR | 0 | -0.044 | -0.007 | 10.003 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 87 | LYS | 1 | 0.916 | 0.948 | 12.149 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 88 | ARG | 1 | 0.872 | 0.948 | 14.493 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 89 | ASP | -1 | -0.817 | -0.924 | 17.400 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 90 | PRO | 0 | -0.004 | -0.012 | 20.735 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 91 | GLU | -1 | -0.928 | -0.951 | 22.937 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 92 | LEU | 0 | -0.007 | 0.003 | 19.618 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 93 | GLU | -1 | -0.826 | -0.906 | 18.688 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 94 | LYS | 1 | 0.868 | 0.948 | 21.518 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 95 | LEU | 0 | -0.012 | -0.005 | 24.788 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 96 | ALA | 0 | 0.021 | 0.009 | 21.312 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 97 | ASP | -1 | -0.792 | -0.880 | 22.193 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 98 | ASP | -1 | -0.852 | -0.926 | 24.433 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 99 | VAL | 0 | -0.024 | -0.009 | 25.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 100 | ILE | 0 | -0.016 | -0.004 | 21.051 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 101 | GLU | -1 | -0.860 | -0.937 | 25.599 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 102 | LEU | 0 | -0.048 | -0.004 | 28.679 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 103 | LEU | 0 | -0.028 | -0.014 | 25.146 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 104 | GLY | 0 | -0.026 | -0.023 | 28.723 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 105 | ARG | 1 | 0.725 | 0.820 | 29.855 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 106 | ALA | 0 | 0.033 | 0.026 | 32.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 107 | GLN | 0 | -0.165 | -0.073 | 28.468 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 108 | GLN | 0 | 0.027 | 0.007 | 32.816 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 109 | PRO | 0 | -0.004 | -0.019 | 34.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 110 | ASP | -1 | -0.859 | -0.915 | 35.404 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 111 | GLY | 0 | -0.032 | -0.016 | 31.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 112 | TYR | 0 | -0.055 | -0.038 | 30.719 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 113 | LEU | 0 | 0.043 | 0.018 | 27.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 114 | ASN | 0 | 0.027 | 0.009 | 30.623 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 115 | THR | 0 | 0.051 | -0.002 | 32.841 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 116 | TYR | 0 | -0.056 | -0.019 | 35.152 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 117 | TYR | 0 | -0.005 | -0.007 | 36.002 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 118 | THR | 0 | -0.052 | -0.037 | 36.295 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 119 | ILE | 0 | -0.022 | 0.000 | 38.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 120 | LYS | 1 | 0.943 | 0.978 | 40.427 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 121 | GLU | -1 | -0.936 | -0.958 | 41.238 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 122 | PRO | 0 | 0.055 | 0.024 | 41.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 123 | GLY | 0 | -0.049 | -0.031 | 42.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 124 | LYS | 1 | 0.911 | 0.954 | 42.425 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 125 | ARG | 1 | 0.864 | 0.934 | 36.720 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 126 | TRP | 0 | -0.011 | -0.042 | 31.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 127 | MET | 0 | 0.000 | 0.017 | 37.928 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 128 | ASN | 0 | -0.011 | -0.018 | 38.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 129 | LEU | 0 | -0.005 | 0.013 | 33.214 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 130 | ARG | 1 | 0.733 | 0.870 | 34.786 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 131 | ASP | -1 | -0.785 | -0.884 | 35.900 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 132 | ASN | 0 | 0.009 | -0.014 | 35.738 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 133 | HIS | 0 | -0.088 | -0.053 | 30.061 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 134 | GLU | -1 | -0.730 | -0.835 | 30.323 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 135 | LEU | 0 | 0.031 | 0.015 | 28.298 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 136 | TYR | 0 | -0.030 | -0.009 | 26.371 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 137 | CYS | 0 | -0.021 | -0.007 | 25.547 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 138 | ALA | 0 | 0.023 | 0.025 | 25.484 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 139 | GLY | 0 | 0.007 | -0.017 | 22.806 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 140 | HIS | 0 | -0.005 | -0.018 | 20.989 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 141 | LEU | 0 | 0.036 | 0.012 | 20.778 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 142 | ILE | 0 | -0.024 | -0.006 | 18.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 143 | GLU | -1 | -0.799 | -0.859 | 16.735 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 144 | ALA | 0 | 0.016 | 0.019 | 16.035 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 145 | ALA | 0 | 0.009 | 0.005 | 16.998 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 146 | VAL | 0 | -0.044 | -0.020 | 12.823 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 147 | ALA | 0 | -0.033 | -0.013 | 12.210 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 148 | TYR | 0 | 0.035 | -0.021 | 12.751 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 149 | PHE | 0 | -0.062 | -0.021 | 13.361 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 150 | ARG | 1 | 0.919 | 0.957 | 8.575 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 151 | ALA | 0 | 0.031 | 0.033 | 10.311 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 152 | THR | 0 | -0.042 | -0.028 | 11.853 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 153 | GLY | 0 | -0.029 | -0.007 | 14.239 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 154 | LYS | 1 | 0.770 | 0.865 | 15.339 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 155 | ARG | 1 | 0.954 | 0.967 | 18.464 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 156 | ARG | 1 | 0.908 | 0.966 | 19.829 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 157 | PHE | 0 | 0.061 | 0.028 | 19.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 158 | LEU | 0 | 0.041 | 0.000 | 16.782 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 159 | ASP | -1 | -0.906 | -0.961 | 20.507 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 160 | ILE | 0 | -0.031 | -0.005 | 23.635 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 161 | MET | 0 | -0.002 | 0.001 | 21.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 162 | CYS | 0 | -0.022 | -0.003 | 21.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 163 | LYS | 1 | 0.959 | 1.002 | 24.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 164 | TYR | 0 | -0.004 | 0.012 | 26.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 165 | ALA | 0 | -0.001 | -0.008 | 24.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 166 | ASP | -1 | -0.854 | -0.906 | 26.193 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 167 | TYR | 0 | 0.015 | 0.018 | 28.223 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 168 | ILE | 0 | 0.004 | 0.002 | 27.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 169 | GLY | 0 | -0.004 | -0.011 | 29.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 170 | THR | 0 | -0.104 | -0.056 | 30.138 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 171 | VAL | 0 | 0.008 | 0.012 | 33.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 172 | PHE | 0 | -0.027 | -0.006 | 31.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 173 | GLY | 0 | 0.010 | 0.003 | 32.670 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 174 | ARG | 1 | 0.849 | 0.900 | 34.304 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 175 | GLY | 0 | 0.010 | 0.018 | 36.477 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 176 | GLU | -1 | -0.946 | -0.984 | 37.987 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 177 | GLY | 0 | -0.025 | -0.017 | 39.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 178 | GLN | 0 | -0.072 | -0.013 | 33.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 179 | ILE | 0 | 0.040 | 0.022 | 37.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 180 | PRO | 0 | 0.008 | 0.015 | 36.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 181 | GLY | 0 | -0.015 | -0.021 | 35.789 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 182 | TYR | 0 | 0.031 | -0.008 | 31.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 183 | ASP | -1 | -0.738 | -0.854 | 29.803 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 184 | GLY | 0 | 0.042 | 0.017 | 31.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 185 | HIS | 1 | 0.761 | 0.869 | 26.525 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 186 | GLN | 0 | 0.016 | -0.017 | 26.051 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 187 | GLH | 0 | -0.020 | -0.065 | 20.381 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 188 | ILE | 0 | 0.036 | 0.040 | 22.337 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 189 | GLU | -1 | -0.826 | -0.920 | 22.790 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 190 | LEU | 0 | 0.014 | 0.009 | 17.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 191 | ALA | 0 | -0.024 | -0.007 | 17.987 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 192 | LEU | 0 | 0.010 | 0.006 | 18.505 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 193 | LEU | 0 | -0.033 | -0.002 | 16.726 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 194 | LYS | 1 | 0.889 | 0.935 | 12.675 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 195 | LEU | 0 | 0.016 | 0.009 | 14.712 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 196 | TYR | 0 | -0.018 | -0.006 | 16.299 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 197 | GLU | -1 | -0.847 | -0.907 | 11.556 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 198 | VAL | 0 | -0.066 | -0.025 | 11.809 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 199 | THR | 0 | -0.034 | -0.026 | 13.520 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 200 | GLY | 0 | -0.015 | 0.002 | 16.281 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 201 | ASN | 0 | 0.012 | 0.001 | 17.459 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 202 | GLU | -1 | -0.849 | -0.949 | 20.748 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 203 | ASN | 0 | -0.028 | -0.014 | 22.293 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 204 | TYR | 0 | -0.062 | -0.063 | 20.151 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 205 | LEU | 0 | 0.016 | 0.019 | 19.185 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 206 | LYS | 1 | 0.976 | 0.968 | 21.697 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 207 | LEU | 0 | 0.020 | 0.035 | 25.264 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 208 | SER | 0 | -0.056 | -0.036 | 21.955 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 209 | GLN | 0 | 0.009 | -0.014 | 24.412 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 210 | TYR | 0 | -0.020 | 0.000 | 26.004 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 211 | PHE | 0 | -0.025 | -0.028 | 26.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 212 | ILE | 0 | -0.047 | -0.023 | 24.775 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 213 | ASP | -1 | -0.825 | -0.906 | 28.172 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 214 | GLN | 0 | 0.012 | 0.024 | 30.848 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 215 | ARG | 1 | 0.811 | 0.895 | 30.160 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 216 | GLY | 0 | -0.021 | -0.015 | 33.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 217 | GLN | 0 | -0.069 | -0.017 | 34.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 218 | GLN | 0 | 0.005 | 0.022 | 38.232 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 219 | PRO | 0 | -0.042 | -0.045 | 41.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 220 | TYR | 0 | -0.018 | -0.033 | 39.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 221 | TYR | 0 | 0.054 | 0.039 | 37.033 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 222 | PHE | 0 | -0.023 | -0.024 | 34.590 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 223 | ASP | -1 | -0.811 | -0.892 | 40.551 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 224 | GLN | 0 | -0.028 | -0.010 | 42.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 225 | GLU | -1 | -0.731 | -0.873 | 39.260 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 226 | LYS | 1 | 0.853 | 0.930 | 43.336 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 227 | GLU | -1 | -0.932 | -0.969 | 45.109 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 228 | ALA | 0 | -0.034 | -0.007 | 45.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 229 | ARG | 1 | 0.745 | 0.883 | 41.386 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 230 | GLY | 0 | -0.028 | -0.006 | 47.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 231 | GLU | -1 | -0.841 | -0.912 | 45.197 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 232 | THR | 0 | -0.004 | -0.021 | 49.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 233 | GLU | -1 | -0.927 | -0.956 | 48.598 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 234 | PRO | 0 | -0.009 | 0.002 | 48.147 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 235 | PHE | 0 | -0.009 | -0.015 | 38.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 236 | TRP | 0 | 0.028 | 0.010 | 38.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 237 | TYR | 0 | -0.049 | -0.004 | 37.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 238 | ASP | -1 | -0.805 | -0.912 | 42.210 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 239 | GLY | 0 | -0.093 | -0.040 | 40.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 240 | GLY | 0 | 0.045 | 0.012 | 40.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 241 | TYR | 0 | -0.009 | -0.054 | 38.065 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 242 | ARG | 1 | 0.939 | 0.975 | 36.507 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 243 | TYR | 0 | -0.011 | 0.017 | 35.096 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 244 | HIS | 0 | 0.018 | 0.018 | 33.054 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 245 | GLN | 0 | -0.035 | -0.030 | 30.530 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 246 | ALA | 0 | 0.029 | 0.014 | 32.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 247 | HIS | 0 | 0.029 | 0.018 | 34.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 248 | ILE | 0 | 0.030 | 0.035 | 35.453 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 249 | PRO | 0 | 0.060 | 0.041 | 34.143 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 250 | VAL | 0 | 0.082 | 0.020 | 28.310 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 251 | ARG | 1 | 0.769 | 0.872 | 28.087 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 252 | GLU | -1 | -0.966 | -0.986 | 31.451 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 253 | GLN | 0 | -0.096 | -0.043 | 31.326 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 254 | LYS | 1 | 0.959 | 0.970 | 31.424 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 255 | GLN | 0 | -0.037 | -0.017 | 32.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 256 | ALA | 0 | 0.024 | 0.030 | 29.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 257 | VAL | 0 | -0.040 | -0.025 | 31.423 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 258 | GLY | 0 | 0.043 | 0.039 | 32.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 259 | HIS | 0 | 0.018 | 0.005 | 29.696 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 260 | ALA | 0 | 0.070 | 0.027 | 28.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 261 | VAL | 0 | 0.005 | -0.001 | 24.845 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 262 | ARG | 1 | 0.843 | 0.933 | 25.639 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 263 | ALA | 0 | 0.046 | 0.033 | 26.807 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 264 | LEU | 0 | -0.007 | -0.003 | 22.704 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 265 | TYR | 0 | -0.005 | 0.000 | 21.393 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 266 | MET | 0 | -0.011 | 0.023 | 22.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 267 | TYR | 0 | 0.022 | -0.013 | 22.945 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 268 | THR | 0 | -0.011 | -0.017 | 17.267 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 269 | ALA | 0 | -0.020 | -0.002 | 18.877 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 270 | MET | 0 | -0.012 | 0.006 | 20.792 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 271 | ALA | 0 | 0.052 | 0.014 | 18.502 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 272 | GLY | 0 | -0.002 | -0.005 | 16.619 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 273 | LEU | 0 | 0.004 | -0.003 | 17.562 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 274 | ALA | 0 | -0.022 | -0.007 | 20.639 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 275 | ALA | 0 | -0.029 | -0.006 | 15.751 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 276 | LYS | 1 | 0.821 | 0.892 | 13.357 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 277 | MET | 0 | -0.028 | -0.013 | 17.952 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 278 | GLY | 0 | -0.003 | 0.021 | 20.444 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 279 | ASP | -1 | -0.781 | -0.854 | 21.921 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 280 | GLU | -1 | -0.863 | -0.955 | 24.530 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 281 | SER | 0 | -0.079 | -0.070 | 26.039 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 282 | LEU | 0 | 0.003 | 0.003 | 24.103 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 283 | LYS | 1 | 0.976 | 0.991 | 20.473 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 284 | GLN | 0 | 0.015 | 0.004 | 24.012 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 285 | ALA | 0 | -0.028 | 0.003 | 27.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 286 | CYS | 0 | 0.002 | 0.007 | 22.590 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 287 | GLN | 0 | -0.032 | -0.023 | 22.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 288 | THR | 0 | -0.042 | -0.019 | 25.198 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 289 | LEU | 0 | -0.013 | -0.010 | 26.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 290 | TRP | 0 | 0.034 | 0.029 | 20.218 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 291 | GLU | -1 | -0.865 | -0.921 | 25.059 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 292 | ASN | 0 | -0.046 | -0.019 | 27.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 293 | VAL | 0 | 0.053 | 0.012 | 25.840 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 294 | THR | 0 | -0.044 | -0.039 | 23.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 295 | LYS | 1 | 0.879 | 0.938 | 26.743 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 296 | ARG | 1 | 0.783 | 0.887 | 29.727 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 297 | GLN | 0 | -0.014 | 0.002 | 30.586 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 298 | MET | 0 | 0.008 | 0.028 | 25.114 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 299 | TYR | 0 | -0.018 | -0.014 | 29.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 300 | ILE | 0 | -0.005 | -0.008 | 28.168 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 301 | THR | 0 | 0.070 | 0.032 | 27.119 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 302 | GLY | 0 | 0.023 | 0.000 | 24.169 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 303 | GLY | 0 | 0.011 | 0.029 | 25.060 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 304 | VAL | 0 | 0.001 | -0.018 | 26.002 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 305 | GLY | 0 | 0.052 | 0.027 | 28.763 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 306 | SER | 0 | -0.022 | -0.022 | 31.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 307 | SER | 0 | 0.018 | 0.022 | 35.247 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 308 | ALA | 0 | 0.046 | 0.005 | 36.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 309 | PHE | 0 | -0.020 | 0.006 | 38.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 310 | GLY | 0 | 0.037 | -0.005 | 37.333 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 311 | GLU | -1 | -0.832 | -0.899 | 32.959 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 312 | SER | 0 | -0.032 | -0.014 | 32.627 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 313 | PHE | 0 | -0.026 | -0.012 | 27.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 314 | THR | 0 | -0.024 | -0.019 | 33.860 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 315 | PHE | 0 | -0.017 | -0.022 | 36.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 316 | ASP | -1 | -0.828 | -0.916 | 35.327 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 317 | PHE | 0 | -0.056 | -0.056 | 35.358 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 318 | ASP | -1 | -0.856 | -0.884 | 36.953 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 319 | LEU | 0 | -0.024 | -0.016 | 32.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 320 | PRO | 0 | 0.000 | 0.018 | 36.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 321 | ASN | 0 | 0.033 | -0.020 | 36.188 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 322 | ASP | -1 | -0.872 | -0.928 | 37.392 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 323 | THR | 0 | -0.023 | -0.031 | 39.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 324 | ALA | 0 | -0.026 | 0.015 | 34.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 325 | TYR | 0 | -0.078 | -0.050 | 32.357 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 326 | ALA | 0 | -0.049 | -0.033 | 29.672 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 327 | GLU | -1 | -0.831 | -0.929 | 28.364 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 328 | THR | 0 | 0.023 | -0.010 | 24.340 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 329 | CYS | 0 | -0.041 | -0.039 | 23.894 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 330 | ALA | 0 | 0.029 | 0.030 | 23.587 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 331 | SER | 0 | 0.026 | 0.012 | 23.079 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 332 | ILE | 0 | -0.008 | -0.006 | 18.596 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 333 | ALA | 0 | -0.004 | -0.001 | 18.893 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 334 | LEU | 0 | -0.038 | -0.010 | 19.748 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 335 | VAL | 0 | 0.009 | 0.009 | 14.879 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 336 | PHE | 0 | 0.002 | 0.013 | 15.035 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 337 | TRP | 0 | 0.039 | 0.020 | 15.528 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 338 | THR | 0 | -0.055 | -0.049 | 15.869 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 339 | ARG | 1 | 0.967 | 0.982 | 7.048 | 0.986 | 0.986 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 340 | ARG | 1 | 0.848 | 0.927 | 12.587 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 341 | MET | 0 | -0.037 | -0.016 | 14.734 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 342 | LEU | 0 | -0.030 | -0.015 | 12.116 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 343 | GLU | -1 | -0.946 | -0.969 | 9.963 | -0.566 | -0.566 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 344 | LEU | 0 | -0.022 | 0.009 | 13.200 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 345 | GLU | -1 | -0.880 | -0.936 | 16.379 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 346 | MET | 0 | -0.001 | 0.022 | 11.536 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 347 | ASP | -1 | -0.867 | -0.936 | 15.852 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 348 | GLY | 0 | 0.013 | -0.013 | 17.356 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 349 | LYS | 1 | 0.844 | 0.923 | 18.392 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 350 | TYR | 0 | -0.029 | -0.027 | 16.723 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 351 | ALA | 0 | 0.068 | 0.021 | 14.327 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 352 | ASP | -1 | -0.825 | -0.897 | 16.129 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 353 | VAL | 0 | -0.043 | -0.014 | 19.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 354 | MET | 0 | -0.003 | 0.014 | 11.917 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 355 | GLU | -1 | -0.748 | -0.857 | 17.045 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 356 | ARG | 1 | 0.877 | 0.928 | 18.033 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 357 | ALA | 0 | 0.043 | 0.019 | 19.762 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 358 | LEU | 0 | -0.011 | 0.014 | 14.294 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 359 | TYR | 0 | 0.003 | 0.005 | 16.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 360 | ASN | 0 | -0.088 | -0.063 | 21.392 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 361 | GLY | 0 | 0.044 | 0.015 | 24.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 362 | THR | 0 | -0.042 | -0.007 | 19.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 363 | ILE | 0 | 0.008 | -0.010 | 20.604 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 364 | SER | 0 | 0.007 | 0.002 | 23.310 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 365 | GLY | 0 | 0.023 | 0.030 | 25.844 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 366 | MET | 0 | -0.083 | -0.039 | 22.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 367 | ASP | -1 | -0.776 | -0.875 | 27.174 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 368 | LEU | 0 | -0.041 | -0.025 | 26.705 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 369 | ASP | -1 | -0.856 | -0.937 | 26.304 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 370 | GLY | 0 | -0.001 | -0.018 | 26.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 371 | LYS | 1 | 0.932 | 0.976 | 26.890 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 372 | LYS | 1 | 0.855 | 0.945 | 30.237 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 373 | PHE | 0 | 0.059 | 0.000 | 25.247 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 374 | PHE | 0 | 0.022 | 0.034 | 29.502 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 375 | TYR | 0 | -0.018 | -0.001 | 29.318 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 376 | VAL | 0 | 0.010 | 0.004 | 30.307 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 377 | ASN | 0 | -0.041 | -0.008 | 28.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 378 | PRO | 0 | 0.046 | 0.037 | 31.599 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 379 | LEU | 0 | -0.013 | -0.016 | 31.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 380 | GLU | -1 | -0.965 | -0.996 | 34.919 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 381 | VAL | 0 | 0.014 | 0.010 | 37.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 382 | TRP | 0 | 0.064 | 0.023 | 40.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 383 | PRO | 0 | 0.060 | 0.013 | 42.604 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 384 | LYS | 1 | 0.987 | 0.997 | 44.407 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 385 | ALA | 0 | -0.014 | -0.016 | 45.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 386 | CYS | 0 | -0.018 | 0.010 | 42.357 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 387 | GLU | -1 | -0.926 | -0.951 | 44.533 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 388 | ARG | 1 | 0.750 | 0.861 | 46.847 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 389 | HIS | 0 | 0.068 | 0.015 | 46.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 390 | ASP | -1 | -0.837 | -0.902 | 44.818 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 391 | LYS | 1 | 0.913 | 0.959 | 42.163 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 392 | ARG | 1 | 0.941 | 0.992 | 42.069 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 393 | HIS | 0 | -0.085 | -0.040 | 36.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 394 | VAL | 0 | 0.003 | 0.001 | 37.598 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 395 | LYS | 1 | 0.934 | 0.968 | 36.606 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 396 | PRO | 0 | 0.019 | 0.005 | 37.248 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 397 | VAL | 0 | 0.019 | -0.001 | 36.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 398 | ARG | 1 | 0.768 | 0.902 | 29.762 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 399 | GLN | 0 | -0.036 | -0.033 | 33.552 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 400 | LYS | 1 | 0.955 | 0.978 | 32.735 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 401 | TRP | 0 | -0.038 | -0.028 | 31.531 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 402 | PHE | 0 | 0.081 | 0.032 | 33.345 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 403 | SER | 0 | 0.032 | 0.018 | 34.073 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 404 | CYS | 0 | -0.005 | -0.009 | 31.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 405 | ALA | 0 | 0.009 | 0.020 | 30.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 406 | CYS | 0 | 0.060 | 0.028 | 26.182 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 407 | CYS | 0 | -0.013 | -0.009 | 25.190 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 408 | PRO | 0 | 0.007 | 0.017 | 24.589 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 409 | PRO | 0 | 0.057 | 0.040 | 22.551 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 410 | ASN | 0 | -0.039 | -0.031 | 20.771 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 411 | LEU | 0 | 0.072 | 0.014 | 19.828 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 412 | ALA | 0 | -0.022 | 0.001 | 18.939 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 413 | ARG | 1 | 0.823 | 0.906 | 16.383 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 414 | LEU | 0 | 0.011 | 0.017 | 14.296 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 415 | ILE | 0 | 0.004 | -0.003 | 14.066 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 416 | ALA | 0 | -0.025 | -0.012 | 14.224 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 417 | SER | 0 | -0.014 | -0.006 | 10.302 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 418 | ILE | 0 | 0.042 | 0.020 | 9.843 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 419 | GLY | 0 | 0.006 | -0.006 | 7.901 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 420 | HIS | 0 | -0.104 | -0.066 | 5.502 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 421 | TYR | 0 | -0.035 | -0.029 | 6.591 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 422 | ILE | 0 | -0.021 | 0.006 | 7.378 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 423 | TYR | 0 | 0.017 | -0.018 | 4.482 | 0.240 | 0.333 | -0.001 | -0.005 | -0.086 | 0.000 |
417 | D | 424 | LEU | 0 | 0.021 | 0.012 | 5.241 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 425 | GLN | 0 | -0.004 | 0.004 | 2.996 | 0.565 | 1.179 | 0.067 | -0.160 | -0.521 | 0.000 |
419 | D | 426 | THR | 0 | 0.009 | 0.021 | 4.715 | -0.252 | -0.229 | -0.001 | -0.001 | -0.021 | 0.000 |
420 | D | 427 | SER | 0 | -0.021 | -0.007 | 7.930 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 428 | ASP | -1 | -0.876 | -0.945 | 10.119 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 429 | ALA | 0 | -0.041 | -0.032 | 10.137 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 430 | LEU | 0 | 0.007 | 0.026 | 5.324 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 431 | PHE | 0 | -0.019 | -0.012 | 7.926 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 432 | VAL | 0 | 0.017 | 0.006 | 8.406 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 433 | HIS | 0 | 0.031 | 0.047 | 9.148 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 434 | LEU | 0 | -0.016 | -0.001 | 11.137 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 435 | TYR | 0 | -0.017 | -0.037 | 12.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 436 | VAL | 0 | 0.025 | 0.010 | 11.797 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 437 | GLY | 0 | 0.041 | 0.038 | 12.299 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 438 | SER | 0 | -0.008 | -0.013 | 8.909 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 439 | ASP | -1 | -0.872 | -0.938 | 8.783 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 440 | ILE | 0 | 0.042 | 0.029 | 2.543 | -1.882 | -0.647 | 0.643 | -0.582 | -1.296 | 0.004 |
434 | D | 441 | GLN | 0 | -0.044 | -0.007 | 4.162 | 0.419 | 0.668 | -0.001 | -0.042 | -0.206 | 0.000 |
435 | D | 442 | THR | 0 | 0.007 | -0.037 | 2.499 | -1.051 | 1.736 | 1.923 | -2.269 | -2.441 | -0.014 |
436 | D | 443 | GLU | -1 | -0.884 | -0.945 | 3.696 | -0.979 | -0.817 | 0.011 | -0.028 | -0.145 | 0.000 |
437 | D | 444 | ILE | 0 | -0.039 | -0.023 | 5.939 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 445 | ASP | -1 | -0.958 | -0.982 | 8.863 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 446 | GLY | 0 | -0.041 | -0.018 | 9.811 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 447 | ARG | 1 | 0.940 | 0.987 | 10.361 | -0.500 | -0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 448 | SER | 0 | 0.071 | 0.045 | 7.812 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 449 | VAL | 0 | -0.065 | -0.037 | 7.470 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 450 | LYS | 1 | 0.900 | 0.959 | 6.959 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 451 | ILE | 0 | -0.001 | -0.003 | 8.231 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 452 | MET | 0 | 0.010 | 0.008 | 9.305 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 453 | GLN | 0 | 0.044 | 0.020 | 10.387 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 454 | GLU | -1 | -0.952 | -0.971 | 13.312 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 455 | THR | 0 | -0.006 | -0.043 | 16.071 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 456 | ASN | 0 | -0.014 | 0.001 | 18.569 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 457 | TYR | 0 | -0.044 | -0.008 | 18.033 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 458 | PRO | 0 | -0.004 | -0.017 | 19.085 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 459 | TRP | 0 | 0.031 | 0.007 | 21.450 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 460 | ASP | -1 | -0.862 | -0.961 | 23.134 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 461 | GLY | 0 | 0.036 | 0.017 | 22.207 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 462 | THR | 0 | -0.042 | -0.009 | 22.286 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 463 | VAL | 0 | -0.036 | -0.004 | 15.889 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 464 | ARG | 1 | 0.946 | 0.975 | 18.109 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 465 | LEU | 0 | 0.043 | 0.020 | 12.494 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 466 | THR | 0 | 0.009 | 0.012 | 14.561 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 467 | VAL | 0 | -0.017 | -0.018 | 12.475 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 468 | SER | 0 | -0.056 | -0.041 | 12.297 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 469 | PRO | 0 | -0.020 | -0.001 | 11.969 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 470 | GLU | -1 | -0.948 | -0.967 | 12.033 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 471 | SER | 0 | -0.031 | -0.018 | 13.869 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 472 | ALA | 0 | -0.002 | -0.007 | 16.022 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 473 | GLY | 0 | 0.002 | -0.012 | 16.820 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 474 | GLU | -1 | -0.956 | -0.967 | 16.867 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 475 | PHE | 0 | 0.037 | 0.016 | 12.199 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 476 | THR | 0 | 0.005 | -0.001 | 13.433 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 477 | LEU | 0 | 0.038 | 0.037 | 11.150 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 478 | GLY | 0 | -0.011 | -0.001 | 11.957 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 479 | LEU | 0 | -0.010 | -0.016 | 12.762 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 480 | ARG | 1 | 0.810 | 0.892 | 14.715 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 481 | ILE | 0 | -0.032 | -0.009 | 16.536 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 482 | PRO | 0 | -0.006 | 0.004 | 19.027 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 483 | GLY | 0 | 0.068 | 0.038 | 20.930 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 484 | TRP | 0 | -0.080 | -0.035 | 21.183 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 485 | CYS | 0 | -0.059 | 0.015 | 23.959 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 486 | ARG | 1 | 0.880 | 0.914 | 25.906 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 487 | GLY | 0 | 0.020 | -0.004 | 28.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 488 | ALA | 0 | 0.008 | 0.009 | 23.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 489 | GLU | -1 | -0.977 | -0.984 | 25.225 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 490 | VAL | 0 | 0.014 | -0.003 | 21.144 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 491 | THR | 0 | -0.048 | -0.021 | 23.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 492 | ILE | 0 | -0.005 | -0.010 | 20.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 493 | ASN | 0 | -0.014 | -0.013 | 22.165 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 494 | GLY | 0 | -0.005 | 0.001 | 24.319 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 495 | GLU | -1 | -0.914 | -0.949 | 26.637 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 496 | LYS | 1 | 0.908 | 0.945 | 26.557 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 497 | VAL | 0 | 0.014 | 0.013 | 23.530 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 498 | ASP | -1 | -0.884 | -0.953 | 26.544 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 499 | ILE | 0 | 0.038 | -0.003 | 22.572 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 500 | VAL | 0 | -0.003 | 0.016 | 24.418 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 501 | PRO | 0 | -0.033 | -0.019 | 26.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 502 | LEU | 0 | -0.026 | -0.011 | 21.427 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 503 | ILE | 0 | -0.039 | 0.006 | 21.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 504 | LYS | 1 | 0.917 | 0.952 | 19.596 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 505 | LYS | 1 | 0.876 | 0.910 | 19.976 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 506 | GLY | 0 | 0.078 | 0.039 | 19.897 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 507 | TYR | 0 | 0.022 | 0.013 | 12.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 508 | ALA | 0 | 0.006 | -0.001 | 18.072 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 509 | TYR | 0 | -0.052 | -0.032 | 15.188 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 510 | ILE | 0 | 0.036 | 0.011 | 16.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 511 | ARG | 1 | 0.891 | 0.951 | 15.522 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 512 | ARG | 1 | 0.866 | 0.920 | 18.045 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 513 | VAL | 0 | -0.009 | -0.003 | 18.239 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 514 | TRP | 0 | -0.046 | -0.027 | 15.642 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 515 | GLN | 0 | 0.020 | -0.015 | 17.829 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 516 | GLN | 0 | -0.004 | -0.022 | 15.639 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 517 | GLY | 0 | 0.020 | 0.016 | 16.860 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 518 | ASP | -1 | -0.750 | -0.827 | 17.625 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 519 | GLU | -1 | -0.951 | -0.973 | 17.538 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 520 | VAL | 0 | -0.012 | -0.007 | 17.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 521 | LYS | 1 | 0.921 | 0.964 | 18.677 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 522 | LEU | 0 | -0.006 | -0.006 | 16.797 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 523 | TYR | 0 | -0.003 | 0.002 | 21.092 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 524 | PHE | 0 | 0.025 | 0.003 | 18.675 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 525 | PRO | 0 | 0.034 | 0.020 | 24.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 526 | MET | 0 | -0.047 | -0.016 | 22.460 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 527 | PRO | 0 | -0.015 | 0.007 | 28.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 528 | VAL | 0 | -0.019 | -0.026 | 30.961 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 529 | GLU | -1 | -0.916 | -0.950 | 30.396 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 530 | ARG | 1 | 0.841 | 0.911 | 33.296 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 531 | ILE | 0 | 0.000 | -0.005 | 30.649 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 532 | LYS | 1 | 0.863 | 0.915 | 34.129 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 533 | ALA | 0 | 0.009 | 0.009 | 34.808 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 534 | HIS | 0 | 0.050 | 0.017 | 35.343 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 535 | PRO | 0 | 0.023 | 0.006 | 37.071 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 536 | GLN | 0 | -0.032 | -0.013 | 38.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | D | 537 | VAL | 0 | 0.035 | 0.021 | 35.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | D | 538 | ARG | 1 | 0.915 | 0.955 | 39.006 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | D | 539 | ALA | 0 | 0.009 | 0.020 | 39.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | D | 540 | ASN | 0 | 0.053 | 0.027 | 36.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | D | 541 | ALA | 0 | 0.000 | 0.004 | 40.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | D | 542 | GLY | 0 | -0.017 | -0.007 | 43.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | D | 543 | LYS | 1 | 0.896 | 0.962 | 40.345 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | D | 544 | VAL | 0 | -0.048 | -0.008 | 37.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | D | 545 | ALA | 0 | 0.048 | 0.048 | 33.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | D | 546 | LEU | 0 | 0.015 | 0.012 | 33.911 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | D | 547 | GLN | 0 | -0.016 | -0.021 | 25.852 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | D | 548 | ARG | 1 | 0.903 | 0.961 | 27.152 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | D | 549 | GLY | 0 | 0.067 | 0.035 | 24.871 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | D | 550 | PRO | 0 | -0.030 | 0.006 | 20.855 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | D | 551 | ILE | 0 | 0.022 | 0.009 | 23.283 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | D | 552 | VAL | 0 | -0.023 | -0.008 | 25.698 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | D | 553 | TYR | 0 | -0.073 | -0.051 | 28.649 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | D | 554 | CYS | 0 | -0.069 | -0.020 | 31.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | D | 555 | LEU | 0 | -0.016 | -0.010 | 34.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | D | 556 | GLU | -1 | -0.696 | -0.857 | 36.154 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | D | 557 | GLU | -1 | -0.832 | -0.921 | 39.248 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | D | 558 | VAL | 0 | -0.024 | -0.005 | 39.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | D | 559 | ASP | -1 | -0.804 | -0.874 | 38.206 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | D | 560 | ASN | 0 | -0.059 | -0.038 | 40.135 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | D | 561 | GLY | 0 | -0.009 | 0.002 | 44.057 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | D | 562 | PRO | 0 | 0.036 | 0.008 | 45.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | D | 563 | ASN | 0 | -0.009 | -0.018 | 47.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | D | 564 | LEU | 0 | -0.018 | -0.006 | 40.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | D | 565 | ALA | 0 | 0.018 | 0.009 | 44.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | D | 566 | ASN | 0 | -0.021 | -0.008 | 46.043 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | D | 567 | LEU | 0 | 0.023 | 0.003 | 43.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | D | 568 | PHE | 0 | -0.055 | -0.016 | 45.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | D | 569 | LEU | 0 | 0.038 | 0.018 | 39.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | D | 570 | PRO | 0 | -0.003 | -0.012 | 44.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | D | 571 | ARG | 1 | 0.908 | 0.951 | 43.060 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | D | 572 | ASP | -1 | -0.909 | -0.948 | 43.113 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | D | 573 | ALA | 0 | -0.020 | 0.029 | 43.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | D | 574 | LYS | 1 | 0.961 | 0.969 | 39.082 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | D | 575 | LEU | 0 | -0.044 | -0.016 | 37.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | D | 576 | GLU | -1 | -0.911 | -0.948 | 37.194 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | D | 577 | ALA | 0 | -0.008 | -0.020 | 32.366 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | D | 578 | HIS | 0 | -0.068 | -0.036 | 33.274 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | D | 579 | PHE | 0 | -0.008 | 0.000 | 27.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | D | 580 | GLU | -1 | -0.861 | -0.932 | 31.740 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | D | 581 | PRO | 0 | -0.019 | -0.015 | 30.453 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | D | 582 | ASP | -1 | -0.883 | -0.941 | 30.942 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | D | 583 | LEU | 0 | -0.026 | -0.004 | 32.783 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | D | 584 | LEU | 0 | -0.056 | -0.042 | 30.490 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | D | 585 | GLU | -1 | -0.912 | -0.974 | 26.669 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | D | 586 | GLY | 0 | -0.002 | 0.029 | 27.220 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | D | 587 | VAL | 0 | -0.075 | -0.027 | 27.043 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | D | 588 | VAL | 0 | -0.023 | -0.010 | 28.020 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | D | 589 | VAL | 0 | -0.005 | 0.018 | 30.233 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | D | 590 | ILE | 0 | -0.001 | -0.009 | 31.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | D | 591 | THR | 0 | -0.051 | -0.022 | 35.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | D | 592 | GLY | 0 | 0.074 | 0.022 | 39.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | D | 593 | ILE | 0 | -0.077 | -0.023 | 42.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | D | 594 | ALA | 0 | -0.007 | 0.000 | 44.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | D | 595 | GLU | -1 | -0.916 | -0.965 | 46.318 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | D | 596 | ARG | 1 | 0.860 | 0.936 | 46.972 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | D | 597 | VAL | 0 | -0.014 | -0.007 | 51.020 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | D | 598 | ASP | -1 | -0.834 | -0.885 | 54.036 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | D | 599 | GLU | -1 | -0.877 | -0.936 | 53.759 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | D | 600 | SER | 0 | -0.102 | -0.078 | 57.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | D | 601 | ALA | 0 | -0.021 | -0.024 | 60.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | D | 602 | TRP | 0 | -0.073 | -0.050 | 58.992 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | D | 603 | ASN | 0 | -0.090 | -0.060 | 62.688 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | D | 604 | ASP | -1 | -0.885 | -0.940 | 63.442 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | D | 605 | GLU | -1 | -0.936 | -0.934 | 64.358 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | D | 606 | LEU | 0 | -0.041 | -0.023 | 58.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | D | 607 | TYR | 0 | -0.020 | -0.025 | 58.425 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | D | 608 | ARG | 1 | 0.962 | 0.985 | 62.073 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | D | 609 | PRO | 0 | -0.050 | -0.010 | 62.501 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | D | 610 | ILE | 0 | -0.013 | -0.012 | 62.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | D | 611 | GLU | -1 | -0.945 | -0.960 | 59.727 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | D | 612 | PRO | 0 | -0.028 | -0.006 | 56.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | D | 613 | ARG | 1 | 0.993 | 0.993 | 58.413 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | D | 614 | THR | 0 | -0.018 | -0.019 | 53.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | D | 615 | TYR | 0 | -0.044 | -0.020 | 52.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | D | 616 | LYS | 1 | 0.961 | 0.975 | 50.890 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | D | 617 | VAL | 0 | -0.002 | -0.004 | 47.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | D | 618 | PRO | 0 | 0.000 | 0.011 | 44.931 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | D | 619 | PHE | 0 | -0.001 | -0.010 | 38.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | D | 620 | ARG | 1 | 0.916 | 0.942 | 37.562 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | D | 621 | ALA | 0 | 0.001 | 0.009 | 35.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | D | 622 | ILE | 0 | -0.002 | 0.000 | 32.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | D | 623 | PRO | 0 | 0.047 | 0.018 | 27.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | D | 624 | TYR | 0 | -0.019 | -0.039 | 27.943 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | D | 625 | TYR | 0 | 0.041 | 0.007 | 25.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | D | 626 | ALA | 0 | -0.012 | -0.014 | 27.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | D | 627 | TRP | 0 | 0.007 | 0.011 | 29.790 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | D | 628 | CYS | 0 | -0.028 | -0.011 | 32.389 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | D | 629 | ASN | 0 | 0.015 | 0.006 | 30.322 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | D | 630 | ARG | 1 | 0.750 | 0.850 | 34.232 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | D | 631 | GLY | 0 | 0.002 | 0.010 | 37.750 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | D | 632 | GLU | -1 | -0.924 | -0.964 | 39.563 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | D | 633 | GLY | 0 | 0.026 | 0.009 | 40.929 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | D | 634 | GLU | -1 | -0.882 | -0.937 | 40.820 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | D | 635 | MET | 0 | -0.025 | 0.004 | 34.792 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | D | 636 | VAL | 0 | 0.005 | 0.014 | 38.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | D | 637 | VAL | 0 | 0.025 | 0.009 | 32.713 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | D | 638 | TRP | 0 | -0.039 | -0.027 | 33.380 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | D | 639 | VAL | 0 | 0.064 | 0.027 | 37.807 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | D | 640 | ASN | 0 | 0.008 | 0.002 | 40.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | D | 641 | GLU | -1 | -0.894 | -0.963 | 41.922 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | D | 642 | LYS | 1 | 0.930 | 0.960 | 44.656 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |